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Flux networks in metabolic graphs

P B Warren, S M Duarte Queiros and J L Jones

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A metabolic model can be represented as a bipartite graph comprising linked reaction and metabolite nodes. Here it is shown how a network of conserved fluxes can be assigned to the edges of such a graph by combining the reaction fluxes with a conserved metabolite property such as molecular weight. A similar flux network can be constructed by combining the primal and dual solutions to the linear programming problem that typically arises in constraint-based modelling. Such constructions may help with the visualization of flux distributions in complex metabolic networks. The analysis also explains the strong correlation observed between metabolite shadow prices (the dual linear programming variables) and conserved metabolite properties. The methods were applied to recent metabolic models for Escherichia coli, Saccharomyces cerevisiae and Methanosarcina barkeri. Detailed results are reported for E. coli; similar results were found for other organisms.


 
Supplementary data was added to this article on 30 September 2009.
PACS

87.15.R- Reactions and kinetics

02.60.Pn Numerical optimization

Subjects

Computational physics

Biological physics

Dates

Issue 4 (December 2009)

Received 9 February 2009, accepted for publication 25 August 2009

Published 22 September 2009

 
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